CID 131752043

Epoxysiderol

Structural Information

Molecular Formula
C22H34O4
SMILES
CC(=O)OC1CC2C(CCCC2(C3C14CC(CC3)C5(C4O5)C)C)(C)CO
InChI
InChI=1S/C22H34O4/c1-13(24)25-17-10-16-19(2,12-23)8-5-9-20(16,3)15-7-6-14-11-22(15,17)18-21(14,4)26-18/h14-18,23H,5-12H2,1-4H3
InChIKey
YSPZBZPFWJQSQN-UHFFFAOYSA-N
Compound name
[5-(hydroxymethyl)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2457 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.25298 188.9
[M+Na]+ 385.23492 196.1
[M-H]- 361.23842 192.8
[M+NH4]+ 380.27952 207.8
[M+K]+ 401.20886 193.8
[M+H-H2O]+ 345.24296 184.2
[M+HCOO]- 407.24390 191.7
[M+CH3COO]- 421.25955 196.8
[M+Na-2H]- 383.22037 191.4
[M]+ 362.24515 191.1
[M]- 362.24625 191.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.